1-[(1R,2R,3R)-3-hydroxy-3-methyl-1-oxo-1-phenyl-1λ5-phospholan-2-yl]pyrimidine-2,4-dione

C15H17N2O4P — CID 101239260

IUPAC1-[(1R,2R,3R)-3-hydroxy-3-methyl-1-oxo-1-phenyl-1λ5-phospholan-2-yl]pyrimidine-2,4-dione
SMILESC[C@@]1(O)CC[P@@](=O)(c2ccccc2)[C@H]1n1ccc(=O)[nH]c1=O
InChIInChI=1S/C15H17N2O4P/c1-15(20)8-10-22(21,11-5-3-2-4-6-11)13(15)17-9-7-12(18)16-14(17)19/h2-7,9,13,20H,8,10H2,1H3,(H,16,18,19)/t13-,15-,22-/m1/s1
InChIKeyBTQPAHGCFSUQSS-DZKLMBRESA-N
MW320.29 g/mol
LogP0.88
Rot. Bonds2

About 1-[(1R,2R,3R)-3-hydroxy-3-methyl-1-oxo-1-phenyl-1λ5-phospholan-2-yl]pyrimidine-2,4-dione

1-[(1R,2R,3R)-3-hydroxy-3-methyl-1-oxo-1-phenyl-1λ5-phospholan-2-yl]pyrimidine-2,4-dione (PubChem CID 101239260) has the molecular formula C15H17N2O4P and a molecular weight of 320.29 g/mol. Its IUPAC name is 1-[(1R,2R,3R)-3-hydroxy-3-methyl-1-oxo-1-phenyl-1λ5-phospholan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(1R,2R,3R)-3-hydroxy-3-methyl-1-oxo-1-phenyl-1λ5-phospholan-2-yl]pyrimidine-2,4-dione
PubChem CID101239260
Molecular FormulaC15H17N2O4P
Molecular Weight320.29 g/mol
Exact Mass320.09
IUPAC Name1-[(1R,2R,3R)-3-hydroxy-3-methyl-1-oxo-1-phenyl-1λ5-phospholan-2-yl]pyrimidine-2,4-dione
SMILESC[C@@]1(O)CC[P@@](=O)(c2ccccc2)[C@H]1n1ccc(=O)[nH]c1=O
InChIInChI=1S/C15H17N2O4P/c1-15(20)8-10-22(21,11-5-3-2-4-6-11)13(15)17-9-7-12(18)16-14(17)19/h2-7,9,13,20H,8,10H2,1H3,(H,16,18,19)/t13-,15-,22-/m1/s1
InChIKeyBTQPAHGCFSUQSS-DZKLMBRESA-N
XLogP0.88
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.29
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(1R,2R,3R)-2-amino-3-methyl-1-oxo-1-phenyl-1lambda5-phospholan-3-ol
CID 15870159
1-[5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 19775087
1-[(2R,3R,5R)-5-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 137381041
1-[(6R)-7-hydroxy-7-methyl-2-oxo-2-phenoxy-6,8-dihydro-4H-pyrano[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidine-2,4-dione
CID 163789144
[(2S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)-4-methyloxolan-2-yl]methyl benzoate
CID 129152237
4-[[(3R,4R)-4-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-3-methylpiperidin-1-yl]methyl]benzoic acid
CID 110147020
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 510970
1-[(2R,4R)-4-hydroxy-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 10105161
1-[(2R,4S)-5,5-bis(hydroxymethyl)-4-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 169068397
1-[(3R,4R)-4-hydroxy-4-methyl-1-(pyridine-3-carbonyl)piperidin-3-yl]pyrimidine-2,4-dione
CID 110146533
1-[(3R,4R)-3-hydroxy-3-methyl-1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrimidine-2,4-dione
CID 110146508
1-[(3R,4S,5R)-5-(fluoromethyl)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 118594350

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R,3R)-3-hydroxy-3-methyl-1-oxo-1-phenyl-1λ5-phospholan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(1R,2R,3R)-3-hydroxy-3-methyl-1-oxo-1-phenyl-1λ5-phospholan-2-yl]pyrimidine-2,4-dione (CID 101239260) is 1-[(1R,2R,3R)-3-hydroxy-3-methyl-1-oxo-1-phenyl-1λ5-phospholan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(1R,2R,3R)-3-hydroxy-3-methyl-1-oxo-1-phenyl-1λ5-phospholan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(1R,2R,3R)-3-hydroxy-3-methyl-1-oxo-1-phenyl-1λ5-phospholan-2-yl]pyrimidine-2,4-dione is C[C@@]1(O)CC[P@@](=O)(c2ccccc2)[C@H]1n1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[(1R,2R,3R)-3-hydroxy-3-methyl-1-oxo-1-phenyl-1λ5-phospholan-2-yl]pyrimidine-2,4-dione?
The InChIKey is BTQPAHGCFSUQSS-DZKLMBRESA-N. The full InChI is InChI=1S/C15H17N2O4P/c1-15(20)8-10-22(21,11-5-3-2-4-6-11)13(15)17-9-7-12(18)16-14(17)19/h2-7,9,13,20H,8,10H2,1H3,(H,16,18,19)/t13-,15-,22-/m1/s1.
What are the key properties of 1-[(1R,2R,3R)-3-hydroxy-3-methyl-1-oxo-1-phenyl-1λ5-phospholan-2-yl]pyrimidine-2,4-dione?
1-[(1R,2R,3R)-3-hydroxy-3-methyl-1-oxo-1-phenyl-1λ5-phospholan-2-yl]pyrimidine-2,4-dione has a molecular weight of 320.29 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R,3R)-3-hydroxy-3-methyl-1-oxo-1-phenyl-1λ5-phospholan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 101239260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).